2(1H)-Pyridinone,3,5-dibromo-1-methyl- (14529-54-5)

The 3,5-Dibromo-1-methylpyridin-2(1H)-one, with the CAS registry number 14529-54-5, is also called 3,5-Dibromo-1-methyl-1H-pyridin-2-one. The molecular formula of the chemical is C₆H₅Br₂NO.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.48; (4)ACD/LogD (pH 7.4): 0.48; (5)ACD/BCF (pH 5.5): 1.37; (6)ACD/BCF (pH 7.4): 1.37; (7)ACD/KOC (pH 5.5): 43.61; (8)ACD/KOC (pH 7.4): 43.61; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 46.23 cm³; (15)Molar Volume: 125.3 cm³; (16)Polarizability: 18.32×10^-24cm³; (17)Surface Tension: 57.8 dyne/cm; (18)Density: 2.13 g/cm³; (19)Flash Point: 110.7 °C; (20)Enthalpy of Vaporization: 49.7 kJ/mol; (21)Boiling Point: 259.4 °C at 760 mmHg; (22)Vapour Pressure: 0.013 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Br\C1=C\C(\Br)=C/N(C1=O)C
(2)InChI: InChI=1/C6H5Br2NO/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,1H3
(3)InChIKey: AOJAJTJZSBVNPU-UHFFFAOYAO